Cas no 112494-63-0 (5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI))
![5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI) structure](https://ossimg.kuujia.com/scimg/112500/112494-63-0x500.png)
112494-63-0 structure
Product Name:5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI)
CAS No:112494-63-0
MF:C19H19NO5
MW:341.357865571976
CID:183627
Update Time:2024-03-01
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI)
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS-cis)-
- Spixianine
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol, 6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI)
-
- Inchi： 1S/C19H19NO5/c1-20-4-3-9-5-13-19(25-8-24-13)16-14(9)17(20)18(22)11-6-10(23-2)7-12(21)15(11)16/h5-7,17-18,21-22H,3-4,8H2,1-2H3/t17-,18-/m0/s1
- InChI Key： SOOJTMCFQOPUHB-ROUUACIJSA-N
- SMILES： N1(C)[C@@]2([H])C3=C(C4=C(C=C3CC1)OCO4)C1=C(O)C=C(OC)C=C1[C@@H]2O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.425±0.06 g/cm3(Predicted)
- Boiling Point: 567.4±50.0 °C(Predicted)
- PSA: 52.54
- pka: 8.85±0.40(Predicted)
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-8,12-diol,6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)- (9CI) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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